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Chemical ID: 7746185
Chemical ID:
7746185
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2CC(=NN2C(=O)C)c3ccccc3O
InChi [?]:
InChI=1/C19H20N2O3/c1-3-24-15-10-8-14(9-11-15)18-12-17(20-21(18)13(2)22)16-6-4-5-7-19(16)23/h4-11,18,23H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,20,21,19,22,6,8,5,9,11,15,7,4,18,12,10,23,13,14,16,24,3/E:(8,9)(10,11)/rA:24cCCOCCCCCCCCCNNCOCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s10s13;s14;d15;s15;s12;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O3 |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.5009 |
Area: | 530.99 |
Solvation: | -4.77384 |
Coulombic: | -38.1199 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.68 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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